(Q4897328)

BETAENONE B (English)

14 October 2016

chemical formula

C₂₁H₃₆O₅

1 reference

BETAENONE B (English)

14 October 2016

canonical SMILES

CCC(C)C1C(C2C(CC(CC2C(=O)C1(C)O)(C)O)C)(C)C(=O)CCO

1 reference

BETAENONE B (English)

14 October 2016

isomeric SMILES

CC[C@@H](C)[C@@H]1[C@]([C@H]2[C@@H](C[C@@](C[C@@H]2C(=O)[C@@]1(C)O)(C)O)C)(C)C(=O)CCO

1 reference

BETAENONE B (English)

14 October 2016

found in taxon

Pleospora bjoerlingii

5 references

Structures of betaenones A and B, novel phytotoxins from Phoma betae Fr.

Biosynthetic study of betaenone B: origin of the oxygen atoms and accumulation of a deoxygenated intermediate using P-450 inhibitor

Simple, efficient method for studying biosynthetic oxidation using P-450 inhibitors: late oxidative modification in betaenone B biosynthesis

Synthesis of (–)-probetaenone I: structural confirmation of biosynthetic precursor of betaenone B

Phytotoxicity of the new metabolites produced by Phoma betae, the cause of phoma root rot and leaf spot in sugar beet (Beta vulgaris L.).

schematic

Betaenone ABC.png
619 × 204; 8 KB

0 references

Identifiers

InChI

InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

1 reference

BETAENONE B (English)

14 October 2016

1 reference

Global Substance Registration System

BETAENONE B (English)

14 October 2016

2 references

UNII

C9873620HS

betaenone b (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=85269-23-4

8 April 2021

1 reference

Betaenone B (English)

14 October 2016

2 references

BETAENONE B (English)

14 October 2016

ChEBI ID

145054

mapping relation type

exact match

2 references

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

C9873620HS

betaenone b (English)

14 October 2016